| SpectraBase Compound ID | Jq8HMkyPExp |
|---|---|
| InChI | InChI=1S/C22H42O6/c1-5-9-11-19(7-3)21(23)27-17-15-25-13-14-26-16-18-28-22(24)20(8-4)12-10-6-2/h19-20H,5-18H2,1-4H3 |
| InChIKey | FRQDZJMEHSJOPU-UHFFFAOYSA-N |
| Mol Weight | 402.6 g/mol |
| Molecular Formula | C22H42O6 |
| Exact Mass | 402.298139 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F5sY6iif3Iw |
|---|---|
| Name | Triethylene glycol, bis(2-ethylhexanoate) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 402.298139066 u |
| Formula | C22H42O6 |
| InChI | InChI=1S/C22H42O6/c1-5-9-11-19(7-3)21(23)27-17-15-25-13-14-26-16-18-28-22(24)20(8-4)12-10-6-2/h19-20H,5-18H2,1-4H3 |
| InChIKey | FRQDZJMEHSJOPU-UHFFFAOYSA-N |
| Molecular Weight | 402.572 g/mol |
| SMILES | CCCCC(C(OCCOCCOCCOC(C(CCCC)CC)=O)=O)CC |